ethyl 4,5-dimethyl-2-{2-[(9H-purin-6-yl)sulfanyl]acetamido}thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 4,5-dimethyl-2-{2-[(9H-purin-6-yl)sulfanyl]acetamido}thiophene-3-carboxylate
ethyl 4,5-dimethyl-2-{2-[(9H-purin-6-yl)sulfanyl]acetamido}thiophene-3-carboxylate
Compound characteristics
| Compound ID: | D691-0101 |
| Compound Name: | ethyl 4,5-dimethyl-2-{2-[(9H-purin-6-yl)sulfanyl]acetamido}thiophene-3-carboxylate |
| Molecular Weight: | 391.47 |
| Molecular Formula: | C16 H17 N5 O3 S2 |
| Smiles: | CCOC(c1c(C)c(C)sc1NC(CSc1c2c(ncn1)[nH]cn2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0812 |
| logD: | -0.063 |
| logSw: | -2.4986 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.232 |
| InChI Key: | LTEFIFXLGNLQRC-UHFFFAOYSA-N |